Calcium in PDB 1ksn: Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673

All present enzymatic activity of Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673:
3.4.21.6;

The structure of Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673, PDB code: 1ksn was solved by S.Maignan, J.P.Guilloteau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.810, 71.600, 79.030, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / n/a

The binding sites of Calcium atom in the Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673 (pdb code 1ksn). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673, PDB code: 1ksn:

Calcium binding site 1 out of 1 in the Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Coagulation Factor Xa Complexed with FXV673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:63.1 occ:1.00 O A:HOH442 2.5 29.8 1.0 OE1 A:GLU80 2.5 55.0 1.0 OD1 A:ASP70 2.6 43.5 1.0 O A:GLN75 2.7 73.0 1.0 O A:ASN72 2.7 48.0 1.0 CD A:GLU80 3.4 52.2 1.0 CG A:ASP70 3.6 35.8 1.0 C A:ASN72 3.6 42.9 1.0 CG A:GLU80 3.8 47.2 1.0 C A:GLN75 3.8 71.9 1.0 N A:ASN72 3.9 33.6 1.0 N A:GLU77 4.1 81.1 1.0 OD2 A:ASP70 4.1 43.0 1.0 CA A:ASN72 4.2 36.8 1.0 N A:ARG71 4.3 27.3 1.0 OE2 A:GLU80 4.4 57.0 1.0 CA A:GLU76 4.5 75.2 1.0 CA A:ASP70 4.5 27.4 1.0 N A:GLN75 4.5 67.3 1.0 CB A:ASN72 4.5 39.8 1.0 CB A:ASP70 4.6 34.8 1.0 N A:THR73 4.6 42.8 1.0 N A:GLU76 4.6 72.8 1.0 CB A:GLU77 4.6 85.1 1.0 CA A:GLN75 4.8 71.6 1.0 CA A:THR73 4.8 46.0 1.0 C A:GLU76 4.8 79.0 1.0 C A:ASP70 4.9 31.3 1.0 OE1 A:GLU77 4.9 0.0 1.0 N A:GLU74 5.0 56.3 1.0

K.R.Guertin, C.J.Gardner, S.I.Klein, A.L.Zulli, M.Czekaj, Y.Gong, A.P.Spada, D.L.Cheney, S.Maignan, J.P.Guilloteau, K.D.Brown, D.J.Colussi, V.Chu, C.L.Heran, S.R.Morgan, R.G.Bentley, C.T.Dunwiddie, R.J.Leadley, H.W.Pauls. Optimization of the Beta-Aminoester Class of Factor Xa Inhibitors. Part 2: Identification of FXV673 As A Potent and Selective Inhibitor with Excellent in Vivo Anticoagulant Activity. Bioorg.Med.Chem.Lett. V. 12 1671 2002.
ISSN: ISSN 0960-894X
PubMed: 12039587
DOI: 10.1016/S0960-894X(02)00213-5